BDBM7533 (2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]butan-1-ol::(2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol::(2R)-2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]-1-butanol::(2R)-2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol::(2R)-2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}butan-1-ol::(R)-Roscovitine::2,6,9-Trisubstituted purine deriv. 28::CHEMBL14762::CYC-202::Roscovitine::cid_160355

SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1

InChI Key InChIKey=BTIHMVBBUGXLCJ-OAHLLOKOSA-N

Data  5 KI  187 IC50  339 Kd  1 EC50

PDB links: 6 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 7533   

LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50:  1.10E+4nMAssay Description:Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using myelin basic protein substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 5 activator 1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50:  200nMAssay Description:Inhibition of human recombinant CDK5/P25 using myelin basic protein substrateMore data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50:  72nMAssay Description:Inhibition of recombinant human CDK2/cyclin A after 30 mins in presence of [gamma-33P] by scintillation counting methodMore data for this Ligand-Target Pair
TargetDual specificity tyrosine-phosphorylation-regulated kinase 3(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of recombinant GST-tagged human DYRK3 expressed in Escherichia coli using woodtide as substrate after 30 mins in presence of [gamma-33P] b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50:  220nMAssay Description:Inhibition of recombinant human CDK9/cyclin T expressed in insect cells using CDK7/9-tide as substrate after 30 mins in presence of [gamma-33P] by sc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDual specificity protein kinase CLK2(Mus musculus)
Universit£

Curated by ChEMBL
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50:  710nMAssay Description:Inhibition of recombinant GST-tagged mouse CLK2 expressed in Escherichia coli using RS peptide as substrate after 30 mins in presence of [gamma-33P] ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDual specificity protein kinase CLK3(Mus musculus)
Universit£

Curated by ChEMBL
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of recombinant GST-tagged mouse CLK3 expressed in Escherichia coli using RS peptide as substrate after 30 mins in presence of [gamma-33P] ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDual specificity protein kinase CLK4(Mus musculus)
Universit£

Curated by ChEMBL
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50:  620nMAssay Description:Inhibition of recombinant GST-tagged mouse CLK4 expressed in Escherichia coli using RS peptide as substrate after 30 mins in presence of [gamma-33P] ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDual specificity tyrosine-phosphorylation-regulated kinase 2(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50:  1.70E+3nMAssay Description:Inhibition of recombinant GST-tagged human DYRK2 expressed in Escherichia coli using woodtide as substrate after 30 mins in presence of [gamma-33P] b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycogen synthase kinase-3 beta/[Tau protein] kinase(Sus scrofa)
Universit£

Curated by ChEMBL
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of porcine brain GSK3 using GS-1 as substrate after 30 mins in presence of [gamma-33P] by scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDual specificity tyrosine-phosphorylation-regulated kinase 1A(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50:  1.20E+3nMAssay Description:Inhibition of recombinant GST-tagged human DYRK1A expressed in Escherichia coli using woodtide as substrate after 30 mins in presence of [gamma-33P] ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 5 activator 1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50:  200nMAssay Description:Inhibition of recombinant human CDK5/p25 after 30 mins in presence of [gamma-33P] by scintillation counting methodMore data for this Ligand-Target Pair
TargetDual specificity protein kinase CLK1(Mus musculus)
Universit£

Curated by ChEMBL
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50:  1.20E+3nMAssay Description:Inhibition of recombinant GST-tagged mouse CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins in presence of [gamma-33P] ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDual specificity tyrosine-phosphorylation-regulated kinase 1B(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50:  1.20E+3nMAssay Description:Inhibition of recombinant GST-tagged human DYRK1B expressed in Escherichia coli using woodtide as substrate after 30 mins in presence of [gamma-33P] ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed